9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine

C14H14N4S — CID 25190901

IUPAC9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine
SMILESCc1c2c(nc3sc4c(N)ncnc4c13)CCCC2
InChIInChI=1S/C14H14N4S/c1-7-8-4-2-3-5-9(8)18-14-10(7)11-12(19-14)13(15)17-6-16-11/h6H,2-5H2,1H3,(H2,15,16,17)
InChIKeyGUDXENVGLUFJOJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.01
Rot. Bonds

About 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine

9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine (PubChem CID 25190901) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine.

Molecular Properties

Compound Name9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine
PubChem CID25190901
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine
SMILESCc1c2c(nc3sc4c(N)ncnc4c13)CCCC2
InChIInChI=1S/C14H14N4S/c1-7-8-4-2-3-5-9(8)18-14-10(7)11-12(19-14)13(15)17-6-16-11/h6H,2-5H2,1H3,(H2,15,16,17)
InChIKeyGUDXENVGLUFJOJ-UHFFFAOYSA-N
XLogP3.01
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine?
The IUPAC name of 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine (CID 25190901) is 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine.
What is the SMILES notation for 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine?
The canonical SMILES for 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine is Cc1c2c(nc3sc4c(N)ncnc4c13)CCCC2.
What is the InChIKey of 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine?
The InChIKey is GUDXENVGLUFJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-7-8-4-2-3-5-9(8)18-14-10(7)11-12(19-14)13(15)17-6-16-11/h6H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine?
9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine has a molecular weight of 270.36 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-amine is sourced from PubChem (CID 25190901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).